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Is the original structure invalid if itsit's found later that the material crystallises with a slightly different space group symmetry?

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Thomas
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Is the original structure invalid if later its found later that the material crystallises with a slightly different space group symmetry?

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Thomas
  • 9.4k
  • 7
  • 36
  • 104

Is the original structure invalid if later its found that the material crystallises with a slightly different space group symmetry?

I am studying a material which was first discovered in the early 1960s. It was reported then that it crystallized in the hexagonal $P6_3/mmc$ space group. Recently the material was synthesized again and found that it posses $P6_3mc$ symmetry. My own DFT calculations and another published work find that the latter structure is more stable. Hence during the review of my work, the reviewer mentioned the original $P6_3/mmc$ structure as hypothetical.

How can the structure be called hypothetical if it was reported from experiments and corroborated by others?

Also in general, if an earlier experiment identifies a material with a crystal type and later its found (experiment and theory) that the material crystallizes with a different structure, is the original structure invalid?